Resonant electron transmission through a finite quantum spin chain

Electron transport in a finite one dimensional quantum spin chain (with ferromagnetic exchange) is studied within an $s-d$ exchange Hamiltonian. Spin transfer coefficients strongly depend on the sign of the $s-d$ exchange constant. For a ferromagnetic coupling, they exhibit a novel resonant pattern, reflecting the salient features of the combined electron-spin system. Spin-flip processes are inelastic and feasible at finite voltage or at finite temperature.Comment: 4 pages including 4 .eps figure

Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction

Ultrafast electron diffraction is a powerful technique that can resolve molecular structures with femtosecond and angstrom resolutions. We demonstrate theoretically how it can be used to monitor conical intersection dynamics in molecules. Specific contributions to the signal are identified which vanish in the absence of vibronic coherence and offer a direct window into conical intersection paths. A special focus is on hybrid scattering from nuclei and electrons, a process that is unique to electron (rather than X-ray) diffraction and monitors the strongly coupled nuclear and electronic motions in the vicinity of conical intersections. An application is made to the cis to trans isomerization of azobenzene, computed with exact quantum dynamics wavepacket propagation in a reactive two-dimensional nuclear space

Multiple-point statistical simulation for hydrogeological models: 3D training image development and conditioning strategies

Most studies about the application of geostatistical simulations based on multiple-point statistics (MPS) to hydrogeological modelling focus on relatively fine-scale models and concentrate on the estimation of facies-level, structural uncertainty. Much less attention is paid to the use of input data and optimal construction of training images. For instance, even though the training image should capture a set of spatial geological characteristics to guide the simulations, the majority of the research still relies on 2D or quasi-3D training images. In the present study, we demonstrate a novel strategy for 3D MPS modelling characterized by: (i) realistic 3D training images, and (ii) an effective workflow for incorporating a diverse group of geological and geophysical data sets. The study covers an area of 2810 km2 in the southern part of Denmark. MPS simulations are performed on a subset of the geological succession (the lower to middle Miocene sediments) which is characterized by relatively uniform structures and dominated by sand and clay. The simulated domain is large and each of the geostatistical realizations contains approximately 45 million voxels with size 100 m × 100 m × 5 m. Data used for the modelling include water well logs, high-resolution seismic data, and a previously published 3D geological model. We apply a series of different strategies for the simulations based on data quality, and develop a novel method to effectively create observed sand/clay spatial trends. The training image is constructed as a small 3D voxel model covering an area of 90 km2. We use an iterative training image development strategy and find that even slight modifications in the training image create significant changes in simulations. Thus, the study underlines that it is important to consider both the geological environment, and the type and quality of input information in order to achieve optimal results from MPS modelling. In this study we present a possible workflow to build the training image and effectively handle different types of input information to perform large-scale geostatistical modellin

Helping education undergraduates to use appropriate criteria for evaluating accounts of motivation

The aim of the study was to compare students in a control group with those in a treatment group with respect to evaluative comments on psychological accounts of motivation. The treatment group systematically scrutinized the nature and interpretation of evidence that supported different accounts, and the assumptions, logic, coherence and clarity of accounts. Content analysis of 74 scripts (using three categories) showed that the control group students made more assertions than either evidential or evaluative points, whereas the treatment group used evaluative statements as often as they used assertion. The findings provide support for privileging activities that develop understanding of how knowledge might be contested, and suggest a need for further research on pedagogies to serve this end. The idea is considered that such understanding has a pivotal role in the development of critical thinking

Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study

We theoretically monitor the photoinduced ∗ → n∗ internal conversion process in 4-thiouracil (4TU), triggered by an optical pump. The element-sensitive spectroscopic signatures are recorded by a resonant X-ray probe tuned to the sulfur, oxygen, or nitrogen K-edge. We employ high-level electronic structure methods optimized for core-excited electronic structure calculation combined with quantum nuclear wavepacket dynamics computed on two relevant nuclear modes, fully accounting for their quantum nature of nuclear motions. We critically discuss the capabilities and limitations of the resonant technique. For sulfur and nitrogen, we document a pre-edge spectral window free from ground-state background and rich with ∗ and n∗ absorption features. The lowest sulfur K-edge shows strong absorption for both ∗ and n*. In the lowest nitrogen K-edge window, we resolve a state-specific fingerprint of the ∗ and an approximate timing of the conical intersection via its depletion. A spectral signature of the n∗ transition, not accessible by UV-vis spectroscopy, is identified. The oxygen K-edge is not sensitive to molecular deformations and gives steady transient absorption features without spectral dynamics. The */n∗ coherence information is masked by more intense contributions from populations. Altogether, element-specific time-resolved resonant X-ray spectroscopy provides a detailed picture of the electronic excited-state dynamics and therefore a sensitive window into the photophysics of thiobases

Particle Simulation of Plume Flows from an Anode-Layer Hall Thruster

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/76848/1/AIAA-28384-370.pd

Systematic study of trace radioactive impurities in candidate construction materials for EXO-200

The Enriched Xenon Observatory (EXO) will search for double beta decays of 136Xe. We report the results of a systematic study of trace concentrations of radioactive impurities in a wide range of raw materials and finished parts considered for use in the construction of EXO-200, the first stage of the EXO experimental program. Analysis techniques employed, and described here, include direct gamma counting, alpha counting, neutron activation analysis, and high-sensitivity mass spectrometry.Comment: 32 pages, 6 figures. Expanded introduction, added missing table entry. Accepted for publication in Nucl. Instrum. Meth.

A compact ultra-clean system for deploying radioactive sources inside the KamLAND detector

We describe a compact, ultra-clean device used to deploy radioactive sources along the vertical axis of the KamLAND liquid-scintillator neutrino detector for purposes of calibration. The device worked by paying out and reeling in precise lengths of a hanging, small-gauge wire rope (cable); an assortment of interchangeable radioactive sources could be attached to a weight at the end of the cable. All components exposed to the radiopure liquid scintillator were made of chemically compatible UHV-cleaned materials, primarily stainless steel, in order to avoid contaminating or degrading the scintillator. To prevent radon intrusion, the apparatus was enclosed in a hermetically sealed housing inside a glove box, and both volumes were regularly flushed with purified nitrogen gas. An infrared camera attached to the side of the housing permitted real-time visual monitoring of the cable's motion, and the system was controlled via a graphical user interface.Comment: Revised author affiliations, corrected typos, made minor improvements to text, and revised reference